N-(1-adamantylmethyl)-5-[2-(2-azanylethylamino)ethylamino]-2-chloranyl-benzamide; ethanoic acid

Systemtic Name: N-(1-adamantylmethyl)-5-[2-(2-azanylethylamino)ethylamino]-2-chloranyl-benzamide; ethanoic acid Openeye Name: acetic acid; N-(1-adamantylmethyl)-5-[2-(2-aminoethylamino)ethylamino]-2-chloro-benzamide CAS Name: acetic acid; N-(1-adamantylmethyl)-5-[2-(2-aminoethylamino)ethylamino]-2-chlorobenzamide IUPAC Name: acetic acid; N-(1-adamantylmethyl)-5-[2-(2-aminoethylamino)ethylamino]-2-chlorobenzamide Traditional Name: acetic acid; N-(1-adamantylmethyl)-5-[2-(2-aminoethylamino)ethylamino]-2-chloro-benzamide Formula: C24H37ClN4O3 MolecularWeight: 465.02858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCCN)Cl

Isomeric SMILES

CC(=O)O.C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCCN)Cl

InChI

InChI=1S/C22H33ClN4O.C2H4O2/c23-20-2-1-18(26-6-5-25-4-3-24)10-19(20)21(28)27-14-22-11-15-7-16(12-22)9-17(8-15)13-22;1-2(3)4/h1-2,10,15-17,25-26H,3-9,11-14,24H2,(H,27,28);1H3,(H,3,4)